N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline

C23H29N5O — CID 30312378

IUPACN-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline
SMILESCOc1ccc(NC2(c3nnnn3-c3cc(C)cc(C)c3)CCC(C)CC2)cc1
InChIInChI=1S/C23H29N5O/c1-16-9-11-23(12-10-16,24-19-5-7-21(29-4)8-6-19)22-25-26-27-28(22)20-14-17(2)13-18(3)15-20/h5-8,13-16,24H,9-12H2,1-4H3
InChIKeyUICYCTDUGQBCSE-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.81
Rot. Bonds5

About N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline

N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline (PubChem CID 30312378) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline
PubChem CID30312378
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline
SMILESCOc1ccc(NC2(c3nnnn3-c3cc(C)cc(C)c3)CCC(C)CC2)cc1
InChIInChI=1S/C23H29N5O/c1-16-9-11-23(12-10-16,24-19-5-7-21(29-4)8-6-19)22-25-26-27-28(22)20-14-17(2)13-18(3)15-20/h5-8,13-16,24H,9-12H2,1-4H3
InChIKeyUICYCTDUGQBCSE-UHFFFAOYSA-N
XLogP4.81
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312310
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312342
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
CID 30309876
3-bromo-4-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 3560575
ethyl 4-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312316
ethyl 3-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312319
ethyl 3-[5-[1-(3,5-dimethylanilino)-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312601
N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide
CID 56691116
2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 50812217
4-methoxy-N-[(1R,2S)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-2-methylcyclohexyl]aniline
CID 7393898
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline?
The IUPAC name of N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline (CID 30312378) is N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline.
What is the SMILES notation for N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline?
The canonical SMILES for N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline is COc1ccc(NC2(c3nnnn3-c3cc(C)cc(C)c3)CCC(C)CC2)cc1.
What is the InChIKey of N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline?
The InChIKey is UICYCTDUGQBCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-9-11-23(12-10-16,24-19-5-7-21(29-4)8-6-19)22-25-26-27-28(22)20-14-17(2)13-18(3)15-20/h5-8,13-16,24H,9-12H2,1-4H3.
What are the key properties of N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline?
N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline has a molecular weight of 391.52 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline is sourced from PubChem (CID 30312378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).